4-bromo-N,N-dipropylaniline

C12H18BrN — CID 10445113

IUPAC4-bromo-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyVFHSEFDNJJKCFP-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.08
Rot. Bonds5

About 4-bromo-N,N-dipropylaniline

4-bromo-N,N-dipropylaniline (PubChem CID 10445113) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 4-bromo-N,N-dipropylaniline.

Molecular Properties

Compound Name4-bromo-N,N-dipropylaniline
PubChem CID10445113
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name4-bromo-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyVFHSEFDNJJKCFP-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-[(4-bromophenyl)diazenyl]-N-butyl-N-hexylaniline
CID 169054222
N,N-dipropylaniline;ethane
CID 142135231
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 58662077
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378
4-(dipropylamino)benzenesulfinic acid
CID 155424665

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dipropylaniline?
The IUPAC name of 4-bromo-N,N-dipropylaniline (CID 10445113) is 4-bromo-N,N-dipropylaniline.
What is the SMILES notation for 4-bromo-N,N-dipropylaniline?
The canonical SMILES for 4-bromo-N,N-dipropylaniline is CCCN(CCC)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-dipropylaniline?
The InChIKey is VFHSEFDNJJKCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 4-bromo-N,N-dipropylaniline?
4-bromo-N,N-dipropylaniline has a molecular weight of 256.19 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dipropylaniline is sourced from PubChem (CID 10445113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).